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BDBM50218607 CHEMBL436540

SMILES: CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O

InChI Key: InChIKey=MSKOBZYCSOUFGR-ZGAORZAOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50218607   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(Homo sapiens (Human))
BDBM50218607
PNG
(CHEMBL436540)
Show SMILES CC(=O)CCCC(=O)NC1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O
Show InChI InChI=1S/C32H32FN5O5/c1-20(39)8-7-13-27(40)36-31-32(43)38(19-28(41)35-25(30(34)42)18-21-14-16-23(33)17-15-21)26-12-6-5-11-24(26)29(37-31)22-9-3-2-4-10-22/h2-6,9-12,14-17,25,31H,7-8,13,18-19H2,1H3,(H2,34,42)(H,35,41)(H,36,40)/t25-,31?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxytocin with human oxytocin receptor


Bioorg Med Chem Lett 11: 1301-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00202-5
BindingDB Entry DOI: 10.7270/Q27H1MS3
More data for this
Ligand-Target Pair